5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

C16H9F2N3O2 — CID 53140969

IUPAC5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc2o1
InChIInChI=1S/C16H9F2N3O2/c1-8-19-13-7-9(3-5-14(13)22-8)15-20-16(23-21-15)10-2-4-11(17)12(18)6-10/h2-7H,1H3
InChIKeyGOGRLIFBFXDGJI-UHFFFAOYSA-N
MW313.26 g/mol
LogP4.13
Rot. Bonds2

About 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (PubChem CID 53140969) has the molecular formula C16H9F2N3O2 and a molecular weight of 313.26 g/mol. Its IUPAC name is 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
PubChem CID53140969
Molecular FormulaC16H9F2N3O2
Molecular Weight313.26 g/mol
Exact Mass313.07
IUPAC Name5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc2o1
InChIInChI=1S/C16H9F2N3O2/c1-8-19-13-7-9(3-5-14(13)22-8)15-20-16(23-21-15)10-2-4-11(17)12(18)6-10/h2-7H,1H3
InChIKeyGOGRLIFBFXDGJI-UHFFFAOYSA-N
XLogP4.13
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (CID 53140969) is 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is Cc1nc2cc(-c3noc(-c4ccc(F)c(F)c4)n3)ccc2o1.
What is the InChIKey of 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is GOGRLIFBFXDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O2/c1-8-19-13-7-9(3-5-14(13)22-8)15-20-16(23-21-15)10-2-4-11(17)12(18)6-10/h2-7H,1H3.
What are the key properties of 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 313.26 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 53140969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).